2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C17H24N2O2 — CID 110416964

IUPAC2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)C3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(14-3-4-14)17(20)19-11-9-18(10-12-19)15-5-7-16(21-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyCLRWFUJOBIBZTG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds4

About 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 110416964) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID110416964
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)C3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(14-3-4-14)17(20)19-11-9-18(10-12-19)15-5-7-16(21-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyCLRWFUJOBIBZTG-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]azetidin-2-one
CID 122447696
2-cyclopropyl-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611377
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 18545089
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 987992
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 110416964) is 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(N2CCN(C(=O)C(C)C3CC3)CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CLRWFUJOBIBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(14-3-4-14)17(20)19-11-9-18(10-12-19)15-5-7-16(21-2)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110416964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).